BDBM97464 US8470800, A::US8609833, 17

SMILES O[C@@H]1[C@@H](CO[N+]([O-])=O)O[C@H]([C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12

InChI Key InChIKey=AQLVRTWKJDTWQQ-SDBHATRESA-N

Data  4 KI

Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 97464   

TargetAdenosine receptor A1(Homo sapiens (Human))
Inotek Pharmaceuticals Corporation

US Patent
LigandPNGBDBM97464(US8470800, A | US8609833, 17)
Show SMILES O[C@@H]1[C@@H](CO[N+]([O-])=O)O[C@H]([C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C15H20N6O6/c22-11-9(5-26-21(24)25)27-15(12(11)23)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,22-23H,1-5H2,(H,16,17,19)/t9-,11-,12-,15-/m1/s1
Affinity DataKi:  0.970nM ΔG°:  -11.4kcal/molepH: 7.4 T: 2°CAssay Description:Radioligand binding assay using adenosine receptor.More data for this Ligand-Target Pair
TargetAdenosine receptor A1(Homo sapiens (Human))
Inotek Pharmaceuticals Corporation

US Patent
LigandPNGBDBM97464(US8470800, A | US8609833, 17)
Show SMILES O[C@@H]1[C@@H](CO[N+]([O-])=O)O[C@H]([C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C15H20N6O6/c22-11-9(5-26-21(24)25)27-15(12(11)23)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,22-23H,1-5H2,(H,16,17,19)/t9-,11-,12-,15-/m1/s1
Affinity DataKi:  0.970nMAssay Description:The affinities of selected Purine Derivatives for the adenosine A1 receptor were determined by measuring the displacement of specific [3H] 2-chloro-N...More data for this Ligand-Target Pair
TargetAdenosine receptor A3(Homo sapiens (Human))
Inotek Pharmaceuticals Corporation

US Patent
LigandPNGBDBM97464(US8470800, A | US8609833, 17)
Show SMILES O[C@@H]1[C@@H](CO[N+]([O-])=O)O[C@H]([C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C15H20N6O6/c22-11-9(5-26-21(24)25)27-15(12(11)23)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,22-23H,1-5H2,(H,16,17,19)/t9-,11-,12-,15-/m1/s1
Affinity DataKi:  704nMAssay Description:The affinities of selected Purine Derivatives for the adenosine A1 receptor were determined by measuring the displacement of specific [3H] 2-chloro-N...More data for this Ligand-Target Pair
TargetAdenosine receptor A2(Homo sapiens (Human))
Inotek Pharmaceuticals Corporation

US Patent
LigandPNGBDBM97464(US8470800, A | US8609833, 17)
Show SMILES O[C@@H]1[C@@H](CO[N+]([O-])=O)O[C@H]([C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C15H20N6O6/c22-11-9(5-26-21(24)25)27-15(12(11)23)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,22-23H,1-5H2,(H,16,17,19)/t9-,11-,12-,15-/m1/s1
Affinity DataKi:  4.69E+3nMAssay Description:The affinities of selected Purine Derivatives for the adenosine A1 receptor were determined by measuring the displacement of specific [3H] 2-chloro-N...More data for this Ligand-Target Pair